Molecular Level Investigations of Structural and Chemical Evolution of Interfacial Processes Relevant to Energy Storage Systems
EMSL Project ID
49321
Abstract
The objectives of this proposal are to understand the reactions occurring at the electrode/electrolyte interphases in lithium-oxygen (Li-O2) batteries, and to investigate the transform mechanisms of lithium nickel manganese cobalt oxide (NMC) cathode materials for Li-ion batteries during synthesis processes. In nonaqueous Li-O2 batteries, recent reports indicated that the battery cycling can be performed via LiOH formation and decomposition by adding water and LiI as additives in electrolytes or through LiO2 by using Ir-decorated graphene electrode, both of which are different from the traditional pathway of formation of Li2O2. However, the proposed mechanism for cycling LiOH is not convincing and there is no direct experimental XRD evidence for LiO2. We also found that the temperature below and above 0 degrees C has significant effects on the discharge behaviors of the Li-O2 battery but the true mechanisms are unclear. Therefore, the investigations in Li-O2 batteries will be focused on (1) the mechanisms of oxygen reduction reaction (ORR) at the air electrode/electrolyte interphase in the temperature ranges below and above 0?C, (2) the effects of selected catalysts and moisture with and without LiI additive in electrolytes on ORR and oxygen evolution reaction (OER) at air electrode/electrolyte interphases and the cycling stability of related Li-O2 cells, and (3) the Li/electrolyte interphases during Li-O2 operations. In Li-ion batteries, the studies include (1) the phase transformation and Ni segregation in Li-rich Mn-rich (LMR) layered cathode materials during synthesis process to find out the Ni-segregation layer formation process, (2) the phase transformation mechanisms and morphological changes of Ni-rich LiNixMnyCozO2 (NMC) cathode materials during synthesis to find out the optimized calcination temperature for cathode materials synthesis, and (3) the conditions that the NMC particles start to form cracks and show deteriorated cycling stability when cycled to high voltages. All of the work is leveraged with the strong capabilities in PNNL including energy storage materials, characterizations and computational calculations.
Project Details
Project type
Large-Scale EMSL Research
Start Date
2016-10-01
End Date
2018-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Adkins E.R., T. Jiang, L. Luo, C. Wang, and B.A. Korgel. 2018. "In Situ TEM of Oxide Shell-Induced Pore Formation in (De)lithiated Silicon Nanowires." ACS Nano 3, no. 11:2829–2834. PNNL-SA-129164. doi:10.1021/acsenergylett.8b01904
Cao X., X. Ren, L. Zou, M.H. Engelhard, W. Huang, H. Wang, and B.E. Matthews, et al. 2019. "Monolithic solid–electrolyte interphases formed in fluorinated orthoformate-based electrolytes minimize Li depletion and pulverization." Nature Energy 4, no. 9:796–805. PNNL-SA-141828.
Cao X., X. Ren, L. Zou, M.H. Engelhard, W. Huang, H. Wang, and B.E. Matthews, et al. 2019. "Monolithic solid-electrolyte interphases formed in fluorinated orthoformate-based electrolytes minimize Li depletion and pulverization." Nature Energy 4, no. 9:796-805. PNNL-SA-141828. doi:10.1038/s41560-019-0464-5
Chen S., J. Zheng, D. Mei, K. Han, W. Zhao, W. Xu, and J. Liu, et al. 2018. "High-voltage lithium-metal batteries enabled by localized high-concentration electrolytes." Advanced Materials 30, no. 21:1706102. PNNL-SA-126291. doi:10.1002/adma.201706102
Chen S., J. Zheng, L. Yu, X. Ren, M.H. Engelhard, C. Niu, and H. Lee, et al. 2018. "High-Efficiency Lithium Metal Batteries with Fire-Retardant Electrolytes." Joule 2, no. 8:1548-1558. PNNL-SA-131864. doi:10.1016/j.joule.2018.05.002
Han S., J. Wang, X. Shi, H. Wang, C. Wang, and M. Gu. 2018. "Morphology-controlled Discharge Profile and Reversible Cu Extrusion and Dissolution In Biomimetic CuS." ACS Applied Materials & Interfaces 10, no. 48:41458-41464. PNNL-SA-138373. doi:10.1021/acsami.8b17387
He Y., J. Liu, L. Luo, Y. Wang, J. Zhu, Y. Du, and J. Li, et al. 2018. "Size-Dependent Dynamic Structures of Supported Gold Nanoparticles in CO Oxidation Reaction Condition." Proceedings of the National Academy of Sciences of the United States of America 115, no. 30:7700-7705. PNNL-SA-134341. doi:10.1073/pnas.1800262115
Hu J., Y. Xiao, H. Tang, H. Wang, Z. Wang, C. Liu, and H. Zeng, et al. 2017. "Tuning Li-Ion Diffusion in a-LiMn1-xFexPO4 Nanocrystals by Antisite Defects and Embedded ß-Phase for Advanced Li-Ion Batteries." Nano Letters 17, no. 8:4937-4940. PNNL-SA-129316. doi:10.1021/acs.nanolett.7b01978
Jia H., L. Zou, P. Gao, X. Cao, W. Zhao, Y. He, and M.H. Engelhard, et al. 2019. "High-performance silicon anodes enabled by nonflammable localized high-concentration electrolytes." Advanced Energy Materials 9, no. 31:Article No. 1900784. PNNL-SA-141600. doi:10.1002/aenm.201900784
Jiao S., J. Zheng, Q. Li, X. Li, M.H. Engelhard, R. Cao, and J. Zhang, et al. 2018. "Behavior of Lithium Metal Anodes under Various Capacity Utilization and High Current Density in Lithium Metal Batteries." Joule 2, no. 1:110-124. PNNL-SA-125205. doi:10.1016/j.joule.2017.10.007
Jiao S., X. Ren, R. Cao, M.H. Engelhard, Y. Liu, D. Hu, and D. Mei, et al. 2018. "Stable Cycling of High-Voltage Lithium Metal Batteries in Ether Electrolytes." Nature Energy 3, no. 9:739-746. PNNL-SA-131449. doi:10.1038/s41560-018-0199-8
Jiao S ,Zheng J ,Li Q ,Engelhard M H,Cao R ,Zhang J ,Xu W 2017. "Effects of lithium metal capacity usage on the stability of lithium metal batteries" Nature Energy
Jin Y., L. Zou, L. Liu, M.H. Engelhard, R.L. Patel, Z. Nie, and K. Han, et al. 2019. "Joint charge storage for high-rate aqueous zinc-manganese dioxide batteries." Advanced Materials 31, no. 29:Article No. 1900567. PNNL-SA-140329. doi:10.1002/adma.201900567
Kim C., G. Song, L. Luo, J. Cheong, S. Cho, D. Kwon, and S. Choi, et al. 2018. "Stress-Tolerant Nanoporous Germanium Nanofibers for Long-Cycle Life Lithium Storage with High Structural Stability." ACS Nano 12, no. 8:8169-8176. PNNL-SA-136826. doi:10.1021/acsnano.8b03278
Kim U., D. Jun, K. Park, D. Aurbach, D.T. Major, G. Goobes, and M. Dixit, et al. 2018. "Pushing the limit of layered transition metal oxide cathodes for high-energy density rechargeable Li ion batteries." Nature Energy 11, no. 5:1271-1279. PNNL-SA-129318. doi:10.1039/c8ee00227d
Kwak WJ, L Luo, HJ Jung, C Wang, and YK Sun. 2018. "Revealing the Reaction Mechanism of Na-O2 Batteries Using Environmental Transmission Electron Microscopy." ACS Energy Letters 3(2):393-399. doi:10.1021/acsenergylett.7b01273
Lee H., H. Lim, X. Ren, L. Yu, M.H. Engelhard, K. Han, and J. Lee, et al. 2018. "Detrimental Effects of Chemical Crossover from the Lithium Anode to Cathode in Rechargeable Lithium Metal Batteries." ACS Energy Letters 3, no. 12:2921–2930. PNNL-SA-137789. doi:10.1021/acsenergylett.8b01819
Lee H., S. Chen, X. Ren, A.I. Martinez, V. Shutthanandan, V. Murugesan, and K. Han, et al. 2018. "Electrode Edge Effects and the Failure Mechanism of Lithium-Metal Batteries." ChemSusChem 11, no. 21:3821-3828. PNNL-SA-134550. doi:10.1002/cssc.201801445
Lee H, X Ren, C Niu, L Yu, MH Engelhard, I Cho, MH Ryou, HS Jin, HT Kim, J Liu, W Xu, and J Zhang. 2017. "Suppressing Lithium Dendrite Growth by Metallic Coating on Separator." Advanced Functional Materials 27(45):Article No. 1704391. doi:10.1002/adfm.201704391
Li Q, D Lu, J Zheng, S Jiao, L Luo, C Wang, K Xu, J Zhang, and W Xu. 2017. "Li+-Desolvation Dictating Lithium-Ion Battery's Low-Temperature Performances." ACS Applied Materials & Interfaces 9(49):42761-42768. doi:10.1021/acsami.7b13887
Li Q ,Jiao S ,Luo L ,Ding M S,Zheng J ,Cartmell S S,Wang C ,Xu K ,Zhang J ,Xu W 2017. "Wide temperature electrolytes for lithium-ion batteries" ACS Applied Materials & Interfaces 9(22):18826-18835. 10.1021/acsami.7b04099
Liu B., Q. Li, M.H. Engelhard, Y. He, X. Zhang, D. Mei, and C. Wang, et al. 2019. "Constructing Robust Electrode/Electrolyte Interphases to Enable Wide Temperature Applications of Lithium-Ion Batteries." ACS Applied Materials & Interfaces 11, no. 24:21496-21505. PNNL-SA-141223. doi:10.1021/acsami.9b03821
Liu B., W. Xu, J. Tao, P. Yan, J. Zheng, M.H. Engelhard, and D. Lu, et al. 2018. "Enhanced Cyclability of Lithium-Oxygen Batteries with Electrodes Protected by Surface Films Induced via In-Situ Electrochemical Process." Advanced Energy Materials 8, no. 11:1702340. PNNL-SA-128613. doi:10.1002/aenm.201702340
Liu B, W Xu, J Zheng, P Yan, ED Walter, NG Isern, ME Bowden, MH Engelhard, S Kim, J Read, BDG Adams, X Li, J Cho, C Wang, and J Zhang. 2017. "Temperature dependence of the oxygen reduction mechanism in nonaqueous Li-O2 batteries." ACS Energy Letters 2:2525-2530. doi:10.1021/acsenergylett.7b00845
Liu B., W. Xu, L. Luo, J. Zheng, X. Ren, H. Wang, and M.H. Engelhard, et al. 2019. "Highly Stable Oxygen Electrodes Enabled by Catalyst Redistribution through an In Situ Electrochemical Method." Advanced Energy Materials 9, no. 15:1803598. PNNL-SA-136322. doi:10.1002/aenm.201803598
Liu J., D. Lu, J. Zheng, P. Yan, B. Wang, X. Sun, and Y. Shao, et al. 2018. "Minimizing Polysulfide Shuttle Effect in Lithium-Ion Sulfur Batteries by Anode Surface Passivation." ACS Applied Materials & Interfaces 10, no. 26:21965-21972. PNNL-SA-129224. doi:10.1021/acsami.8b02381
Li X, J Tao, D Hu, MH Engelhard, W Zhao, J Zhang, and W Xu. 2018. "Stability of Polymeric Separators in Lithium Metal Batteries in a Low Voltage Environment." Journal of Materials Chemistry A 6(12):5006-5015. doi:10.1039/C7TA11259A
Li X., J. Zheng, M.H. Engelhard, D. Mei, Q. Li, S. Jiao, and N. Liu, et al. 2018. "Effects of Imide-Orthoborate Dual-Salt Mixtures in Organic Carbonate Electrolytes on the Stability of Lithium Metal Batteries." ACS Applied Materials & Interfaces 10, no. 3:2469-2479. PNNL-SA-128903. doi:10.1021/acsami.7b15117
Li X., J. Zheng, X. Ren, M.H. Engelhard, W. Zhao, Q. Li, and J. Zhang, et al. 2018. "Dendrite-Free and Performance-Enhanced Lithium Metal Batteries through Optimizing Solvent Compositions and Adding Combinational Additives." Nature Energy 8, no. 15:Article Number 1703022. PNNL-SA-129776. doi:10.1002/aenm.201703022
Luo L ,Liu B ,Song S ,Xu W ,Zhang J ,Wang C 2017. "Revealing The Reaction Mechanisms of Li-O2 Batteries Using Environmental Transmission Electron Microscopy" Nature Nanotechnology 12():535-540. 10.1038/nnano.2017.27
Ma T ,Xu GL ,Li Y ,Wang L ,He X ,Zheng J ,Liu J ,Engelhard M H,Zapol P ,Curtiss L A,Jorne J ,Amine K ,Chen Z 2017. "Revisiting the Corrosion of Aluminum Current Collector in Lithium-Ion Batteries" The Journal of Physical Chemistry Letters 8(5):1072-1077. 10.1021/acs.jpclett.6b02933
Mei D., F. Gao, J. Szanyi, and Y. Wang. 2019. "Mechanistic insight into the passive NOx adsorption in the highly dispersed Pd/H-BEA zeolite." Applied Catalysis. A, General 569. PNNL-SA-137552. doi:10.1016/j.apcata.2018.10.037
Mishra K, J Zheng, RL Patel, L Estevez, H Jia, L Luo, PZ El-Khoury, X Li, XD Zhou, and J Zhang. 2018. "High Performance Porous Si@C Anodes Synthesized by Low Temperature Aluminothermic Reaction." Electrochimica Acta 269:509-516. doi:10.1016/j.electacta.2018.02.166
Nanda J., C. Wang, and P. Liu. 2018. "Frontiers of solid-state batteries." MRS Bulletin 43, no. 10:740-745. PNNL-SA-138451. doi:10.1557/mrs.2018.234
Pan H., K. Han, M.H. Engelhard, R. Cao, J. Chen, J. Zhang, and K.T. Mueller, et al. 2018. "Addressing Passivation in Lithium–Sulfur Battery under Lean-Electrolyte Condition." Advanced Functional Materials 28, no. 38:Article Number 1707234. PNNL-SA-131237. doi:10.1002/adfm.201707234
Ren X., L. Zou, S. Jiao, D. Mei, M.H. Engelhard, Q. Li, and H. Lee, et al. 2019. "High-Concentration Ether Electrolytes for Stable High-Voltage Lithium Metal Batteries." ACS Energy Letters 4, no. 4:896-902. PNNL-SA-134330. doi:10.1021/acsenergylett.9b00381
Ren X., L. Zou, X. Cao, M.H. Engelhard, W. Liu, S.D. Burton, and H. Lee, et al. 2019. "Enabling High-Voltage Lithium-Metal Batteries under Practical Conditions." Joule 3, no. 7:1662-1676. PNNL-SA-140396. doi:10.1016/j.joule.2019.05.006
Ren X, Y Zhang, MH Engelhard, Q Li, J Zhang, and W Xu. 2018. "Guided Lithium Metal Deposition and Improved Lithium Coulombic Efficiency through Synergistic Effects of LiAsF6 and Cyclic Carbonate Additives." ACS Energy Letters 3(1):14-19. doi:10.1021/acsenergylett.7b00982
Ruther R, AS Pandian, P Yan, JN Weker, C Wang, and J Nanda. 2017. "Structural Transformations in High Capacity Li2Cu0. 5Ni0. 5O2 Cathodes." Chemistry of Materials 29(7):2997-3005. doi:10.1021/acs.chemmater.6b05442
Ryu J., T. Chen, T. Bok, G. Song, J. Ma, C. Hwang, and L. Luo, et al. 2018. "Mechanical Mismatch-driven Rippling In Carbon-coated Silicon Sheets For Stress-resilient Battery Anodes." Nature Communications 9, no. 1:2924. PNNL-SA-132988. doi:10.1038/s41467-018-05398-9
Self E.C., L. Zou, M. Zhang, R. Opfer, R. Ruther, G.M. Veith, and B. Song, et al. 2018. "Synthesis and Electrochemical and Structural Investigations of Oxidatively Stable Li2MoO3 and xLi2MoO3·(1 - x)LiMO2 Composite Cathodes." Chemistry of Materials 30. PNNL-SA-138456. doi:10.1021/acs.chemmater.8b01408
Sun C., K. Zhao, Y. He, J. Zheng, W. Xu, C. Zhang, and X. Wang, et al. 2019. "Interconnected Vertically Stacked 2D-MoS2 for Ultrastable Cycling of Rechargeable Li-Ion Battery." ACS Applied Materials & Interfaces 11, no. 23:20762-20769. PNNL-SA-138453. doi:10.1021/acsami.9b02359
Vinado C., S. Wang, Y. He, X. Xiao, Y. Li, C. Wang, and J. Yang. 2018. "Electrochemical and Interfacial Behavior of All Solid State Batteries Using Li10SnP2S12 Solid Electrolyte." Journal of Power Sources 396. PNNL-SA-132845. doi:10.1016/j.jpowsour.2018.06.038
Wang Y, D Lu, ME Bowden, PZ El-Khoury, KS Han, Z Deng, J Xiao, J Zhang, and J Liu. 2018. "Formation mechanism of Li7P3S11 solid electrolytes through liquid phase synthesis." Chemistry of Materials. doi:10.1021/acs.chemmater.7b04842
Wang Y, D Lu, ME Bowden, PZ El-Khoury, KS Han, Z Deng, J Xiao, J Zhang, and J Liu. 2018. "Mechanism of Formation of Li7P3S11 Solid Electrolytes through Liquid Phase Synthesis." Chemistry of Materials 30(3):990-997. doi:10.1021/acs.chemmater.7b04842
Xia Y., J. Zheng, C. Wang, and M. Gu. 2018. "Designing Principle For Ni-rich Cathode Materials With High Energy Density For Practical Applications." Nano Energy 49. PNNL-SA-134249. doi:10.1016/j.nanoen.2018.04.062
Yan P., J. Zheng, J. Liu, B. Wang, X. Sun, C. Wang, and J. Zhang. 2018. "Tailoring grain boundary structures and chemistry of Ni-rich layered cathodes for enhanced cycle stability of lithium-ion batteries." Nature Energy 3, no. 7:600-605. PNNL-SA-130003. doi:10.1038/s41560-018-0191-3
Yan P, J Zheng, J Zhang, and C Wang. 2017. "Atomic Resolution Structural and Chemical Imaging Revealing the Sequential Migration of Ni, Co and Mn upon Battery Cycling of Layered Cathode." Nano Letters 17(6):3946-3951. doi:10.1021/acs.nanolett.7b01546
Yan P., J. Zheng, T. Chen, L. Luo, Y. Jiang, K. Wang, and M. Sui, et al. 2018. "Coupling of Electrochemically Triggered Thermal and Mechanical Effects to Aggravate Failure in a Layered Cathode." Nature Communications 9, no. 2437:Epub. PNNL-SA-134810. doi:10.1038/s41467-018-04862-w
Yu L., S. Chen, H. Lee, L. Zhang, M.H. Engelhard, Q. Li, and S. Jiao, et al. 2018. "A Localized High-Concentration Electrolyte with Optimized Solvents and Lithium Difluoro(oxalate)borate Additive for Stable Lithium Metal Batteries." ACS Energy Letters 3, no. 9:2059-2067. PNNL-SA-134778. doi:10.1021/acsenergylett.8b00935
Zhang H, B May, J Serrano, M Casas, J Cabana, C Wang, and G Zhou. 2018. "Facet-dependent Rock-salt Reconstruction on the Surface of Layered Oxide Cathodes." Chemistry of Materials 30(3):692-699. doi:10.1021/acs.chemmater.7b03901
Zhang H, F Omenya, MS Whittingham, C Wang, and G Zhou. 2017. "Formation of an Anti-core-shell Structure in Layered Oxide Cathode for Li-ion Batteries." ACS Energy Letters 2(11):2598-2606. doi:10.1021/acsenergylett.7b00921
Zhang H, F Omenya, P Yan, L Luo, MS Whittingham, C Wang, and G Zhou. 2017. "Rock-salt Growth Induced (003) Cracking in Layered Positive Electrode for Li-ion Batteries." ACS Energy Letters 2(11):2607-2615. doi:10.1021/acsenergylett.7b00907
Zhang Q, H Chen, L Luo, B Zhao, H Luo, X Han, J Wang, C Wang, Y Yang, T Zhu, and M Liu. 2018. "Harnessing the Concurrent Reaction Dynamics in Active Si and Ge to Achieve High Performance Lithium-ion Batteries." Energy & Environmental Science 11(3):669-681. doi:10.1039/c8ee00239h
Zhao K., C. Sun, Y. Yu, Y. Dong, C. Zhang, C. Wang, and P.M. Voyles, et al. 2018. "Surface Gradient Ti-Doped MnO2 Nanowires for High-Rate and Long-Life Lithium Battery." ACS Applied Materials & Interfaces 10, no. 51:44376-44384. PNNL-SA-132890. doi:10.1021/acsami.8b13376
Zhao W., L. Zou, J. Zheng, H. Jia, J. Song, M.H. Engelhard, and W. Xu, et al. 2018. "Simultaneous Stabilization of LiNi0.76 Mn0.14Co0.10O2 Cathode and Lithium Metal Anode by Lithium Bis(oxalato)borate as Additive." ChemSusChem 11, no. 13:2211-2220. PNNL-SA-133094. doi:10.1002/cssc.201800706
Zheng J, S Chen, W Zhao, J Song, MH Engelhard, and J Zhang. 2018. "Extremely Stable Sodium Metal Batteries Enabled by Localized High-Concentration Electrolytes." ACS Energy Letters 3(2):315-321. doi:10.1021/acsenergylett.7b01213
Zheng J ,Xiao J ,Zhang J 2016. "The roles of oxygen non-stoichiometry on the electrochemical properties of cathode materials" Nano Today 11(5):678-694. 10.1016/j.nantod.2016.08.011
Zou L., W. Zhao, Z. Liu, H. Jia, J. Zheng, G. Wang, and Y. Yang, et al. 2018. "Revealing Cycling Rate Dependent Structure Evolution In The Ni-rich Layered Cathode Materials." ACS Energy Letters 3, no. 10:2433-2440. PNNL-SA-135301. doi:10.1021/acsenergylett.8b01490
Zou L., Z. Liu, W. Zhao, H. Jia, J. Zheng, Y. Yang, and G. Wang, et al. 2018. "Solid-liquid Interfacial Reaction Trigged Propagation of Phase Transition From Surface Into Bulk Lattice of Ni-rich Layered Cathode." Chemistry of Materials 30, no. 20:7016-7026. PNNL-SA-137763. doi:10.1021/acs.chemmater.8b01958